HCID3501942

N-Desmethylvenlafaxine

1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol

C16H25NO2263.37 g/molCAS 149289-30-5

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IDENTITY

结构与身份

标准SMILES: CNCC(c1ccc(OC)cc1)C1(O)CCCCC1
InChIKey: MKAFOJAJJMUXLW-UHFFFAOYSA-N
分子式: C16H25NO2
平均分子量: 263.37 g/mol
单同位素质量: 263.18852904

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 41.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 5
重原子: 19
形式电荷: 0
复杂度: 255

PROPERTIES

实验与物化性质

Collision Cross Section

166.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Antidepressants]

PHARMACOLOGY

药理信息

ATC Code

N06AX16

Tissue Locations

Kidney；Liver

Cellular Locations

Extracellular

Metabolite Pathways

Venlafaxine Metabolism Pathway

USES

用途与制造

Use Classification

Pharmaceuticals -> Nervous System -> Psychoanaleptics -> Antidepressants -> Other antidepressants -> Transformation products

ALIASES

名称与别名

共 47 条

149289-30-5N-DESMETHYLVENLAFAXINENorvenlafaxineN-desmethyl venlafaxine1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol19V5EX4E8BCHEBI:83525DTXSID208810501-(1-(4-methoxyphenyl)-2-(methylamino)ethyl)cyclohexan-1-olRefChem:163253DTXCID10939291D,L N-Desmethyl Venlafaxinerac N-Desmethyl Venlafaxine1-[1-(4-METHOXYPHENYL)-2-(METHYLAMINO)ETHYL]CYCLOHEXANOL1-(1-(4-Methoxyphenyl)-2-(methylamino)ethyl)cyclohexanolMFCD04039502Cyclohexanol, 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]-CHEMBL1628258UNII-19V5EX4E8BN-Desvenlafaxine

REACTIONS